N-[2-[3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]sulfanylindol-1-yl]ethyl]-4-nitro-benzamide

Systemtic Name: N-[2-[3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]sulfanylindol-1-yl]ethyl]-4-nitro-benzamide Openeye Name: N-[2-[3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]sulfanylindol-1-yl]ethyl]-4-nitro-benzamide CAS Name: N-[2-[3-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]thio]-1-indolyl]ethyl]-4-nitrobenzamide IUPAC Name: N-[2-[3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-4-nitrobenzamide Traditional Name: N-[2-[3-[[2-keto-2-(piperonylamino)ethyl]thio]indol-1-yl]ethyl]-4-nitro-benzamide Formula: C27H24N4O6S MolecularWeight: 532.56766

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=CN(C4=CC=CC=C43)CCNC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=CN(C4=CC=CC=C43)CCNC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H24N4O6S/c32-26(29-14-18-5-10-23-24(13-18)37-17-36-23)16-38-25-15-30(22-4-2-1-3-21(22)25)12-11-28-27(33)19-6-8-20(9-7-19)31(34)35/h1-10,13,15H,11-12,14,16-17H2,(H,28,33)(H,29,32)